N-[2-(4-chlorophenyl)sulfanylphenyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Formula: C17H13ClN4O4S MolecularWeight: 404.82752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NNC(=C1[N+](=O)[O-])C(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=NNC(=C1[N+](=O)[O-])C(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H13ClN4O4S/c1-26-17-15(22(24)25)14(20-21-17)16(23)19-12-4-2-3-5-13(12)27-11-8-6-10(18)7-9-11/h2-9H,1H3,(H,19,23)(H,20,21)